N-(2-methoxy-5-methylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide

C19H24N4O3 — CID 53203913

IUPACN-(2-methoxy-5-methylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C19H24N4O3/c1-13-6-7-17(26-3)16(9-13)21-19(25)14-5-4-8-23(12-14)15-10-18(24)22(2)20-11-15/h6-7,9-11,14H,4-5,8,12H2,1-3H3,(H,21,25)
InChIKeyWSSRFIGHAARORE-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.95
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide

N-(2-methoxy-5-methylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 53203913) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
PubChem CID53203913
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C19H24N4O3/c1-13-6-7-17(26-3)16(9-13)21-19(25)14-5-4-8-23(12-14)15-10-18(24)22(2)20-11-15/h6-7,9-11,14H,4-5,8,12H2,1-3H3,(H,21,25)
InChIKeyWSSRFIGHAARORE-UHFFFAOYSA-N
XLogP1.95
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10434440
5-Acetyl-4-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propylamino}-2,6-dimethyl-2H-pyridazin-3-one
CID 10949698
5-Acetyl-4-amino-2-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-6-phenyl-2H-pyridazin-3-one
CID 44294569
Piperidine-1,3-dicarboxylic acid 1-benzylamide 3-[(2-methoxy-phenyl)-amide]
CID 24761950
N-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 3999001
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 5344744
5-Acetyl-4-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 11123606
5-Acetyl-4-amino-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6-phenylpyridazin-3-one
CID 44308167
N-(2-methoxy-5-methylphenyl)-1-(phenylacetyl)-4-piperidinecarboxamide
CID 1075531
3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride
CID 2900367
N-(2-methoxy-5-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 5767395
1-benzyl-N-(2-methoxy-5-methylphenyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 7422820

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (CID 53203913) is N-(2-methoxy-5-methylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is COc1ccc(C)cc1NC(=O)C1CCCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is WSSRFIGHAARORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-6-7-17(26-3)16(9-13)21-19(25)14-5-4-8-23(12-14)15-10-18(24)22(2)20-11-15/h6-7,9-11,14H,4-5,8,12H2,1-3H3,(H,21,25).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?
N-(2-methoxy-5-methylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53203913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).